2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

C11H19FN6O — CID 107226856

IUPAC2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1ncc(F)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H19FN6O/c12-9-8-14-11(16-13)15-10(9)18-3-1-2-17(4-5-18)6-7-19/h8,19H,1-7,13H2,(H,14,15,16)
InChIKeyQEQCVAGYQQWMOW-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.59
Rot. Bonds4

About 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107226856) has the molecular formula C11H19FN6O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107226856
Molecular FormulaC11H19FN6O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1ncc(F)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H19FN6O/c12-9-8-14-11(16-13)15-10(9)18-3-1-2-17(4-5-18)6-7-19/h8,19H,1-7,13H2,(H,14,15,16)
InChIKeyQEQCVAGYQQWMOW-UHFFFAOYSA-N
XLogP-0.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-chloro-2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 80906441
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
2-[4-(5-fluoro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 143431082
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80918943
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674672
2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107226836
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065
2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 107226852
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (CID 107226856) is 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is NNc1ncc(F)c(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is QEQCVAGYQQWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN6O/c12-9-8-14-11(16-13)15-10(9)18-3-1-2-17(4-5-18)6-7-19/h8,19H,1-7,13H2,(H,14,15,16).
What are the key properties of 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 270.31 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).